Phenylhydroquinone diacetate

Base Information

• Chemical Name: Phenylhydroquinone diacetate
• CAS No.: 58244-28-3
• Molecular Formula: C16H14O4
• Molecular Weight: 270.285
• Hs Code.: 2915390090
• European Community (EC) Number: 670-371-7
• DSSTox Substance ID: DTXSID00877971
• Nikkaji Number: J937.537F
• Wikidata: Q82859884
• Mol file: 58244-28-3.mol

Synonyms:Phenylhydroquinone diacetate;58244-28-3;2,5-Diacetoxybiphenyl;biphenyl-2,5-diyl diacetate;[1,1'-Biphenyl]-2,5-diyl diacetate;(4-acetyloxy-3-phenylphenyl) acetate;(1,1'-Biphenyl)-2,5-diol diacetate;(1,1'-Biphenyl)-2,5-diol, diacetate;[1,1'-Biphenyl]-2,5-diol, diacetate;BIPHENYL-2,5-DIOL DIACETATE;Phenylhydrochinondiacetat;Phenyl hydroquinone diacetate;SCHEMBL7160616;DTXSID00877971;MFCD00145106;STK680548;[1,1'-Biphenyl]-2,5-diyldiacetate;AKOS005596391;LS-44347;CS-0326930;5-(acetyloxy)[1,1'-biphenyl]-2-yl acetate;AN-829/41003953

Chemical Property of Phenylhydroquinone diacetate

Chemical Property:

• Appearance/Colour: off-white to light beige crystalline powder
• Vapor Pressure: 3.2E-07mmHg at 25°C
• Melting Point: 66-71 °C
• Refractive Index: 1.552
• Boiling Point: 418.8 °C at 760 mmHg
• Flash Point: 212 °C
• PSA: 52.60000
• Density: 1.175 g/cm³
• LogP: 3.20420
• Storage Temp.: 0-6°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

PHENYL HYDROQUINONE DIACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=C(C=C1)OC(=O)C)C2=CC=CC=C2

Technology Process of Phenylhydroquinone diacetate

There total 2 articles about Phenylhydroquinone diacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 4.1%

2-acetoxybiphenyl (3271-80-5) + acetic anhydride (108-24-7) → biphenyl-2,2′-diyldiacetate (65594-67-4) + 2,5-diacetoxybiphenyl (58244-28-3) + 2,4'-diacetoxybiphenyl (111625-10-6) + 2-Phenylphenol (90-43-7,287950-96-3)

Guidance literature:

With Fe(ClO₄; dihydrogen peroxide; In acetonitrile; at 20 ℃; Mechanism;

DOI:10.1248/cpb.35.916

Reference yield:

biphenyl (92-52-4,1594-86-1) + acetic anhydride (108-24-7) → 4-acetoxybiphenyl (148-86-7) + 2-acetoxybiphenyl (3271-80-5) + biphenyl-2,2′-diyldiacetate (65594-67-4) + 2,5-diacetoxybiphenyl (58244-28-3) + 2,4'-diacetoxybiphenyl (111625-10-6)

Guidance literature:

With Fe(ClO₄; dihydrogen peroxide; In acetonitrile; at 25 - 30 ℃; Product distribution; Mechanism; effect of the molar ratio of the reactants;

DOI:10.1248/cpb.35.916

upstream raw materials:

biphenyl

acetic anhydride

2-acetoxybiphenyl

Refernces